SCHEMBL19185038

SCHEMBL19185038

Cc1ccc(Cn2c(=O)n(C[C@H](C)C3OC3O)c(=O)[nH]/c2=N\c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALOX5AP P20292 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19185063 0.84 P2RX3 (0.35) P2RX3
SCHEMBL10056928 0.83 P2RX3 (0.55) P2RX3
SCHEMBL19185057 0.81 P2RX3 (0.46) P2RX3
SCHEMBL19185188 0.81 P2RX3 (0.41) P2RX3ALDH1A1
SCHEMBL10056317 0.81 P2RX3 (0.57) P2RX3
SCHEMBL19185227 0.75 P2RX3 (0.42) P2RX3
SCHEMBL19185098 0.75 P2RX3 (0.46) P2RX3
SCHEMBL17590504 0.74 P2RX3 (0.56) P2RX3
SCHEMBL19185062 0.74 P2RX3 (0.43) P2RX3
SCHEMBL17590712 0.74 P2RX3 (0.45) P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
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